Wyszukiwarka
Filtry
wszystkich: 23123
wybranych: 14390
-
Katalog
- Publikacje 14390 wyników po odfiltrowaniu
- Czasopisma 460 wyników po odfiltrowaniu
- Konferencje 46 wyników po odfiltrowaniu
- Wydawnictwa 1 wyników po odfiltrowaniu
- Osoby 339 wyników po odfiltrowaniu
- Wynalazki 8 wyników po odfiltrowaniu
- Projekty 21 wyników po odfiltrowaniu
- Laboratoria 10 wyników po odfiltrowaniu
- Zespoły Badawcze 11 wyników po odfiltrowaniu
- Aparatura Badawcza 51 wyników po odfiltrowaniu
- Kursy Online 2177 wyników po odfiltrowaniu
- Wydarzenia 90 wyników po odfiltrowaniu
- Dane Badawcze 5519 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: covid-19 molecular docking multi-epitopes vaccinesmm-pbsa/mm-gbsa analysis sars-cov-2 variants
-
Nested Kriging Surrogates for Rapid Multi-Objective Optimization of Compact Microwave Components
PublikacjaA procedure for rapid EM-based multi-objective optimization of compact microwave components is presented. Our methodology employs a recently developed nested kriging modelling to identify the search space region containing the Pareto-optimal designs, and to construct a fast surrogate model. The latter permits determination of the initial Pareto set, further refined using a separate surrogate-assisted process. As an illustration,...
-
Electronic structure and rovibrational predissociation of the 2^1Π state in KLi
PublikacjaAdiabatic potential energy curves of the 3^1Σ^+, 3^3Σ^+, 2^1Π and 2^3Π states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the experimental curve of the 2^1Π state allowed for a reliable description of the dissociation process through a small (∼20 cm−1 for J = 0) potential energy barrier. The barrier supports several rovibrational...
-
The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
-
Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublikacjaA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
-
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
PublikacjaBy the reaction of benzoyl chloride, potassium isothiocyanate and the appropriate halogenoaniline, i.e. 2/3/4-(bromo/iodo)aniline, we have obtained five new 1-benzoyl-3-(halogenophenyl)thioureas, namely, 1-benzoyl-3-(2-bromophenyl)- thiourea and 1-benzoyl-3-(3-bromophenyl)thiourea, C14H11BrN2OS, and 1-benzoyl-3-(2-iodophenyl)thiourea, 1-benzoyl-3-(3-iodophenyl)thiourea and 1-benzoyl-3-(4-iodophenyl)thiourea, C14H11IN2OS. Structural...
-
Multi-objective optimization of microwave couplers using corrected domain patching
PublikacjaPractical design of microwave components and circuits is a compromise between various, often conflicting objectives. In case of compact structures, the trade-offs are typically concerned with the circuit size and its electrical performance. Comprehensive information about the best possible trade-offs can be obtained by means of multi-objective optimization. In this paper, we propose a computationally efficient technique for identifying...
-
Tolerance-Aware Multi-Objective Optimization of Antennas by Means of Feature-Based Regression Surrogates
PublikacjaAssessing the immunity of antenna design to fabrication tolerances is an important consideration, especially when the manufacturing process has not been predetermined. At the same time, the antenna parameter tuning should be oriented toward improving the performance figures pertinent to both electrical (e.g., input matching) and field properties (e.g., axial ratio bandwidth) as much as possible. Identification of available trade-offs...
-
Collision‐Aware Routing Using Multi‐Objective Seagull Optimization Algorithm for WSN‐Based IoT
PublikacjaIn recent trends, wireless sensor networks (WSNs) have become popular because of their cost, simple structure, reliability, and developments in the communication field. The Internet of Things (IoT) refers to the interconnection of everyday objects and sharing of information through the Internet. Congestion in networks leads to transmission delays and packet loss and causes wastage of time and energy on recovery. The routing protocols...
-
Benchmarking Deep Neural Network Training Using Multi- and Many-Core Processors
PublikacjaIn the paper we provide thorough benchmarking of deep neural network (DNN) training on modern multi- and many-core Intel processors in order to assess performance differences for various deep learning as well as parallel computing parameters. We present performance of DNN training for Alexnet, Googlenet, Googlenet_v2 as well as Resnet_50 for various engines used by the deep learning framework, for various batch sizes. Furthermore,...
-
Reliable Multi-Stage Optimization of Antennas for Multiple Performance Figures in Highly-Dimensional Parameter Spaces
PublikacjaDesign of modern antenna structures needs to account for multiple performance figures and geometrical constraints. Fulfillment of these calls for the development of complex topologies described by a large number of parameters. EM-driven tuning of such designs is mandatory yet immensely challenging. In this letter, a new framework for multi-stage design optimization of multi-dimensional antennas with respect to several performance...
-
Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
-
Thermal treatment of montmorillonite modified with Cd[SC(NH2)2]42+ from two polymorphic salts
PublikacjaMontmorillonite(MMT)/CdS nanocomposites can be obtained using simple ionic exchange between Na(I)-MMT and Cd[SC(NH2)2]42+∙2NO3. The resulting products may be annealed to give (MMT)/CdS nanocomposites as it was proved by XRD analysis.
-
Preparation of 1-[Ω-(1,4,5,6-Tetrahydropyrimidin-2-yl)alkyl]thymines
PublikacjaOne-stage prepn. of the hydrochloride salts of 1-[ω-(1,4,5,6-tetrahydropyrimidin-2-yl)alkyl]-thymines, e.g. I, from 1-(ω-cyanoalkyl)thymines and a 1:1-mixt. of 1,3-diaminopropane and ethanol satd. with hydrogen sulfide is described. 1-(2-Cyanoethyl)-thymine gave a facile reversal of the Michael reaction to thymine under the conditions used. The reaction of 1,3-bis(3-cyanobenzyl)thymine with the above reagent produced 1,3-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzyl]thymine.
-
Cykl "Krówki"(2)
Publikacja -
Oko x 2
Publikacja -
Sztywne złącza (2)
PublikacjaProblemy bezpiecznego posadowienia rurociągu. Warunki wymagane przy rezygnacji z pełnego przygotowania podłoża. Skutki rezygnacji. Możliwości poprawy parametrów złącza.
-
Planning optimised multi-tasking operations under the capability for parallel machining
PublikacjaThe advent of advanced multi-tasking machines (MTMs) in the metalworking industry has provided the opportunity for more efficient parallel machining as compared to traditional sequential processing. It entailed the need for developing appropriate reasoning schemes for efficient process planning to take advantage of machining capabilities inherent in these machines. This paper addresses an adequate methodical approach for a non-linear...
-
Fuzzy Multi-Regional Fractional PID controller for Pressurized Water nuclear Reactor
PublikacjaThe paper presents the methodology for the synthesis of a Fuzzy Multi-Regional Fractional Order PID controller (FMR-FOPID) used to control the average thermal power of a PWR nuclear reactor in the load following mode. The controller utilizes a set of FOPID controllers and the fuzzy logic Takagi-Sugeno reasoning system. The proposed methodology is based on two optimization parts. The first part is devoted to finding the optimal...
-
Using Principal Component Analysis and Canonical Discriminant Analysis for multibeam seafloor characterisation data
PublikacjaThe paper presents the seafloor characterisation based on multibeam sonar data. It relies on using the integrated model and description of three types of multibeam data obtained during seafloor sensing: 1) the grey-level sonar images (echograms) of seabed, 2) the 3D model of the seabed surface which consists of bathymetric data, 3) the set of time domain bottom echo envelopes received in the consecutive sonar beams. The classification...
-
Molecular structure and electrochemical properties of alkyldithiocarbamates.
PublikacjaZastosowano klasyczne metody elektroanalityczne do badania właściwości redoks ditiokarbaminianów litu w środowisku dimetylosulfotlenku. Użyto elektrody z platyny i węgla szklistego. Badane związki zsyntezowano z N,N'-dimetyloetylenodiaminy, do której podstawiono jedną lub dwie grupy ditiokarbonylowe na drodze reakcji z CS2 w środowisku alkalicznym. Stwierdzono, że elektrochemiczne utlenianie ditiokarbaminianów przebiega z udziałem...
-
Molecular modelling of a psychrophilic β-galactosidase
PublikacjaAntarktyczny szczep, gram-ujemnych bakterii, wyizolowanych z przewodu pokarmowego kryla z gatunku Thyssanoessa macrura, sklasyfikowany na podstawie analizy sekwencji nukleotydowej geny 16S rDNA jako Pseudoalteromonas sp. 22b jest producentem wewnątrzkomórkowej zimnolubnej beta-galaktozydazy. Ponieważ enzym ten wykazuje wysoką aktywność katalityczną w zakresie temperatur od 0 do 30 stC, stanowi on atrakcyjny biokatalizator, użyteczny...
-
Fifth Workshop on Atomic and Molecular Physics
Publikacja -
An ancestral molecular response to nanomaterial particulates
Publikacja -
Molecular Origin of Anticooperativity in Hydrophobic Association
Publikacja -
Molecular Dynamics Studies on Amyloidogenic Proteins
Publikacja -
Molecular Dynamics Studies on Amyloidogenic Proteins
Publikacja -
Cellular and molecular basis of thyroid autoimmunity
Publikacja -
Molecular Modeling of Meta II Rhodopsin
Publikacja -
Probing Radiation Damage at the Molecular Level
Publikacja -
Generating molecular entities as structured data
Publikacja -
The molecular entities in linked data dataset
Publikacja -
EM-Driven Multi-Objective Design of Impedance Transformers By Pareto Ranking Bisection Algorithm
PublikacjaIn the paper, the problem of fast multi-objective optimization of compact impedance matching transformers is addressed by utilizing a novel Pareto ranking bisection algorithm. It approximates the Pareto front by dividing line segments connecting the designs found in the previous iterations, and refining the obtained candidate solutions by means of poll-type search involving Pareto ranking. The final Pareto set is obtained using...
-
Patch size setup and performance/cost trade-offs in multi-objective EM-driven antenna optimization using sequential domain patching
PublikacjaPurpose This paper aims to assess control parameter setup and its effect on computational cost and performance of deterministic procedures for multi-objective design optimization of expensive simulation models of antenna structures. Design/methodology/approach A deterministic algorithm for cost-efficient multi-objective optimization of antenna structures has been assessed. The algorithm constructs a patch connecting extreme Pareto-optimal...
-
Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublikacjaDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
-
Issues relating to the efficient Application of passive solar protection in multi-family residential buildings
PublikacjaThe following article is intended to discuss the issues concerning the introduction of passive measures aimed at improving solar protection in multi-family buildings. A system of classifying these methods into two groups of solutions (architectural and material-building) was applied. The first group includes issues concerning facade design, the spatial features of which (such as loggias, balconies and other overhangs) can be treated...
-
Fast Multi-Objective Aerodynamic Optimization Using Sequential Domain Patching and Multifidelity Models
PublikacjaExploration of design tradeoffs for aerodynamic surfaces requires solving of multi-objective optimization (MOO) problems. The major bottleneck here is the time-consuming evaluations of the computational fluid dynamics (CFD) model used to capture the nonlinear physics involved in designing aerodynamic surfaces. This, in conjunction with a large number of simulations necessary to yield a set of designs representing the best possible...
-
Multi-Camera Vehicle Tracking Using Local Image Features and Neural Networks
PublikacjaA method for tracking moving objects crossing fields of view of multiple cameras is presented. The algorithm utilizes Artificial Neural Networks (ANNs). Each ANN is trained to recognize images of one moving object acquired by a single camera. Local image features calculated in the vicinity of automatically detected interest points are used as object image parameters. Next, ANNs are employed to identify the same objects captured...
-
4-[(tert-Butyldimethylsilyl)oxy]-6-methoxy-7-methyl-5-(oxiran-2-ylmethyl)-2-benzofuran-3(1H)-one
PublikacjaThe title compound, C19H28O5Si, was obtained in the reaction of 1,3-dihydro-4-[(tert-butyldimethylsilyl)oxy]-6-methoxy-7-methyl-3-oxo-5-(prop-2-enyl)isobenzofuran with meta-chloroperbenzoic acid. This reaction is one of the stages of the total synthesis of mycophenolic acid, which we attempted to modify. The title compound forms crystals with only weak intermolecular interactions. The strongest stacking interaction is found between...
-
Multi-fidelity aerodynamic design trade-off exploration using point-by-point Pareto set identification
PublikacjaAerodynamic design is inherently a multi-objective optimization (MOO) problem. Determining the best possible trade-offs between conflicting aerodynamic objectives can be computationally challenging when carried out directly at the level of high-fidelity computational fluid dynamics simulations. This paper presents a computationally cheap methodology for exploration of aerodynamic design trade-offs. In particular, point-by-point...
-
Endothelial dysfunction due to eNOS uncoupling: molecular mechanisms as potential therapeutic targets
PublikacjaNitric oxide (NO) is one of the most important molecules released by endothelial cells, and its antiatherogenic properties support cardiovascular homeostasis. Diminished NO bioavailability is a common hallmark of endothelial dysfunction underlying the patho‑ genesis of the cardiovascular disease. Vascular NO is synthesized by endothelial nitric oxide synthase (eNOS) from the substrate L‑arginine (L‑Arg), with tetrahydrobiopterin...
-
Molecular dynamics study of the influence of calcium ions on the conformation of gelsolin S2 domain
Publikacja -
Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets
PublikacjaGraphene-like nanosheets are the key elements of advanced materials and systems. The mechanical behavior of the structurally perfect 2D nanostructures is well documented, but that of polycrystalline ones is less understood. Herein, we applied molecular dynamics simulation (MDS) to take the fracture fingerprint of polycrystalline SiC nanosheets (PSiCNS), where monocrystalline SiC nanosheets (MSiCNS) was the reference nanosheet....
-
Molecular mechanism(s) of regulation(s) of c-MET/HGF signaling in head and neck cancer
Publikacja -
New aspects in assessment of changes in width of subarachnoid space with near-infrared transillumination/backscattering sounding, part 2: clinical verification in the patient
PublikacjaW pracy przedstawiono porównanie wyników symulacji propagacji promieniowania z zakresu bliskiej podczerwieni z danymi uzyskanymi na drodze pomiarów wykonanych w warunkach klinicznych. Różnice między nimi nie przekraczały 4 dB, co potwierdziło słuszność przyjętych założeń w procesie symulacji. W pomiarach wykorzystano unikatowy zetstaw nadajników i odbiorników promieniowania podczerwonego, pozwalającego prowadzenie pomiarów transmisji...
-
Structures, physicochemical and cytoprotective properties of new oxidovanadium(IV) complexes -[VO(mIDA)(dmbipy)]·1.5H 2 O and [VO(IDA)(dmbipy)]·2H 2 O
Publikacja -
Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine
PublikacjaIn this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment...
-
Optimal control of 2-wheeled mobile robot at energy performance index
PublikacjaThe paper presents the application of the optimal control method at the energy perfor- mance index towards motion control of the 2-wheeled mobile robot. With the use of the proposed method of control the 2-wheeled mobile robot can realise effectively the desired trajectory. The problem of motion control of mobile robots is usually neglected and thus performance of the realisation of the high level control tasks is limited.
-
COMPUTER ANALYSIS OF HYDRAULIC CONDITIONS IN A SANITARY CHAMBER
PublikacjaThis paper presents analysis of hydraulic conditions of sewage flow down the slipway (ramp) in the collecting sanitary chamber connecting 3 collectors on the inlet: ⌀600, ⌀800 and ⌀1400 and one on the outlet ⌀1600 mm, with a maximum difference of elevation 5 m. The mathematical model has been made and hydraulic calculations were carried out in steady flow conditions. Then wastewater surface elevation, energy grade line elevation,...
-
Structure analysis and thermal degradation characteristics of bio-based poly(propylene succinate)s obtained by using different catalyst amounts
PublikacjaLinear bio-based polyester polyols were prepared with the use of succinic acid and 1.3-propanediol (both with natural origin). As a catalyst was used tetraisopropyl orthotitanate (TPT). In order to determine the effect of various catalyst content on the thermal degradation characteristics, three different TPT amounts, as a 1.3-propanediol equivalent, were used, namely 0.1 mass% (PPS-0.1), 0.2 mass% (PPS-0.2) and 0.25 mass% (PPS-0.25)....
-
Design and multi-objective optimization of combinational digital circuits using evolutionaty algorithm with multi-layer chromosomes
PublikacjaW artykule przedstawiono zastosowanie algorytmów ewolucyjnych z wielowarstwowymi chromosomami do projektowania i optymalizacji wielokryterialnej kombinatorycznych układów cyfrowych. Kryteriami optymalizacji były: liczba bramek, liczba tranzystorów w układzie i czas propagacji sygnałów. Proponowaną metodą zaprojektowano i optymalizowano cztery układy wzięte z literatury. Uzyskane rezultaty porównano z wynikami otrzymanymi innymi...